General Information of the Compound
| Compound ID |
CP0220351
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| Compound Name |
MLS000732385
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| Structure |
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| Formula |
C25H32N4O
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| Molecular Weight |
404.558
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| Canonical SMILES |
CCCN1CCC(CC1)NCc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H32N4O/c1-3-15-29-16-13-22(14-17-29)26-18-21-19-28(2)27-25(21)20-9-11-24(12-10-20)30-23-7-5-4-6-8-23/h4-12,19,22,26H,3,13-18H2,1-2H3
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| InChIKey |
OFCFGAZWKLJWMU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor